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ISSN 1359-7345, 5/2015, Volume 51, Issue 4, pp. 8551 - 8554
... synthase: a theoretical perspective† Claudio Greco,* a Antonella Ciancetta, b Maurizio Bruschi, a Alexander Kulesza, a Giorgio Moro c and Ugo Cosentino* a Ad hoc... 
Journal Article
Molecules (Basel, Switzerland), ISSN 1420-3049, 03/2017, Volume 22, Issue 3
Adenosine is an endogenous modulator exerting its functions through the activation of four adenosine receptor (AR) subtypes, termed A(1), A(2A), A(2B) and... 
Biochemistry & Molecular Biology | Physical Sciences | Chemistry | Life Sciences & Biomedicine | Chemistry, Multidisciplinary | Science & Technology
Journal Article
ISSN 1477-9226, 10/2012, Volume 41, Issue 41, pp. 1296 - 12969
...: a theoretical investigation† Antonella Ciancetta, Cecilia Coletti, Alessandro Marrone and Nazzareno Re* Received 8th March 2012, Accepted 28th August 2012 DOI: 10.1039... 
Journal Article
Journal of chemical information and modeling, ISSN 1549-9596, 01/2014, Volume 54, Issue 1, pp. 169 - 183
G protein-coupled receptors (GPCRs) represent the largest family of cell-surface receptors and about one-third of the actual targets of clinically used drugs.... 
Computer Science, Information Systems | Physical Sciences | Computer Science, Interdisciplinary Applications | Chemistry | Life Sciences & Biomedicine | Technology | Computer Science | Pharmacology & Pharmacy | Chemistry, Medicinal | Chemistry, Multidisciplinary | Science & Technology
Journal Article
ISSN 2040-2503, 6/2015, Volume 6, Issue 6, pp. 181 - 185
... simulations† Davide Sabbadin, Antonella Ciancetta, Giuseppe Deganutti, Alberto Cuzzolin and Stefano Moro* Adenosine is a naturally occurring purine nucleoside that exerts... 
Journal Article
Medicinal research reviews, ISSN 0198-6325, 07/2018, Volume 38, Issue 4, pp. 1031 - 1072
The A3 adenosine receptor (A3AR) subtype is a novel, promising therapeutic target for inflammatory diseases, such as rheumatoid arthritis (RA) and psoriasis,... 
drug development | cancer | inflammation | therapy | A3 adenosine receptor | adenosine receptor | Adenosine | Psoriasis | Kinases | Inflammatory diseases | Cancer | Index Medicus
Journal Article
Molecules (Basel, Switzerland), ISSN 1420-3049, 03/2017, Volume 22, Issue 3, p. 449
...molecules Review Structural Probing and Molecular Modeling of the A3 Adenosine Receptor: A Focus on Agonist Binding Antonella Ciancetta and Kenneth A. Jacobson... 
G protein-coupled receptor | Agonist | Site-directed mutagenesis | Structure-activity relationship | Homology modeling | Molecular dynamics | Virtual screening | Docking | Nucleoside | Adenosine receptor | Drug discovery | Antineoplastic Agents - chemical synthesis | Humans | Structure-Activity Relationship | Adenosine A3 Receptor Antagonists - chemical synthesis | Adenosine A3 Receptor Agonists - pharmacology | Cardiotonic Agents - chemical synthesis | Receptor, Adenosine A3 - metabolism | Drug Design | Adenosine A3 Receptor Antagonists - pharmacology | Antineoplastic Agents - pharmacology | Mutagenesis, Site-Directed | Anti-Inflammatory Agents - pharmacology | Adenosine - pharmacology | Cardiotonic Agents - pharmacology | Molecular Dynamics Simulation | Receptor, Adenosine A3 - chemistry | Adenosine - analogs & derivatives | Adenosine - chemical synthesis | Adenosine A3 Receptor Agonists - chemical synthesis | Protein Binding | Receptor, Adenosine A3 - genetics | Ligands | Protein Conformation | Anti-Inflammatory Agents - chemical synthesis | Molecular Docking Simulation | Structural Homology, Protein | Vestibules | Binding | Molecular structure | Homology | Modelling | Modulators | Optimization | Anticancer properties | Index Medicus | site-directed mutagenesis | docking | homology modeling | drug discovery | virtual screening | nucleoside | adenosine receptor | agonist | molecular dynamics | structure-activity relationship
Journal Article
Journal of computer-aided molecular design, ISSN 1573-4951, 11/2019, Volume 33, Issue 11, pp. 983 - 996
... mechanisms: molecular dynamics analysis of inactive, active, and fully active states Antonella Ciancetta1,2 · Priscila Rubio1 · David I. Lieberman1 · Kenneth... 
Dynamic structural analysis | Proteins | Coupling (molecular) | Adenosine | Water chemistry | Computer simulation | Molecular dynamics | Homology | Signatures | Destabilization | Activation analysis | Index Medicus
Journal Article
PloS one, ISSN 1932-6203, 05/2012, Volume 7, Issue 5, pp. e37435 - e37435
...Author(s): Ana Paula Martins 1 , Alessandro Marrone 2 , Antonella Ciancetta 2 , Ana Galan Cobo 3 , Miriam Echevarria 3 , Teresa F. Moura 1 , Nazzareno Re 2... 
SOLUTION CHEMISTRY | COLLECTING DUCT | GLYCEROL | CHANNEL PROTEINS | GOLD(III) COMPOUNDS | FORCE-FIELD | WATER PERMEABILITY | PROTEIN HOMOLOGY DETECTION | SELECTIVITY | BASOLATERAL MEMBRANE | Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Organogold Compounds - metabolism | Humans | Water - metabolism | Models, Molecular | Rats | Drug Discovery - methods | PC12 Cells | Aquaporin 3 - metabolism | Animals | Aquaporin 3 - chemistry | Glycerol - metabolism | Organogold Compounds - pharmacology | Cell Membrane Permeability - drug effects | Erythrocytes - metabolism | Protein Binding | Protein Conformation | Molecular Structure | Aquaporin 3 - antagonists & inhibitors | Organogold Compounds - chemistry | Glycerin | Medical research | Cysteine | Thiols | Analysis | Aquaporins | Physiological aspects | Medicine, Experimental | Glycerol | Permeability | Drugs | Metal compounds | Metals | Erythrocytes | Homology | Alcohol | Selectivity | Solutes | Drug development | Membrane channels | Channels | Proteins | Gold compounds | Red blood cells | Docking | Inhibition | Coordination compounds | Aquaporin 1 | Aquaporin 3 | Adducts | Binding | Compound A | Gold | Edema | Medical treatment | Blood cells | Solubility | Quantum physics | Studies | Pheochromocytoma cells | In vivo methods and tests | Scaffolds | Cancer | Index Medicus
Journal Article